5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C13H14BrNOS2 — CID 61076317

IUPAC5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C13H14BrNOS2/c1-8-4-5-10(17-8)9(2)15(3)13(16)11-6-7-12(14)18-11/h4-7,9H,1-3H3
InChIKeyQKRADONKRGZKJI-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.71
Rot. Bonds3

About 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide

5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 61076317) has the molecular formula C13H14BrNOS2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID61076317
Molecular FormulaC13H14BrNOS2
Molecular Weight344.30 g/mol
Exact Mass342.97
IUPAC Name5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C13H14BrNOS2/c1-8-4-5-10(17-8)9(2)15(3)13(16)11-6-7-12(14)18-11/h4-7,9H,1-3H3
InChIKeyQKRADONKRGZKJI-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160
3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
N,3,5-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 54876858
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 55178601
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 61076317) is 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(Br)s2)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is QKRADONKRGZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS2/c1-8-4-5-10(17-8)9(2)15(3)13(16)11-6-7-12(14)18-11/h4-7,9H,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 61076317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).